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130416-73-8

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Basic Information
CAS No.: 130416-73-8
Name: 3-IODOTHIOANISOLE
Article Data: 7
Molecular Structure:
Molecular Structure of 130416-73-8 (3-IODOTHIOANISOLE)
Formula: C7H7IS
Molecular Weight: 250.103
Synonyms: Methylm-iodophenyl sulfide;m-Iodophenyl methyl sulfide;
Density: 1.787 g/cm3
Boiling Point: 266.469 °C at 760 mmHg
Flash Point: 114.957 °C
PSA: 25.30000
LogP: 3.01310
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Chemistry

Molecular Structure of Benzene,1-iodo-3-(methylthio)- (CAS NO.130416-73-8):

Empirical Formula: C7H7IS
Molecular Weight: 250.0999
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.671
Molar Refractivity: 52.314 cm3
Molar Volume: 139.951 cm3
Surface Tension: 48.856 dyne/cm
Density: 1.787 g/cm3
Flash Point: 114.957 °C
Enthalpy of Vaporization: 48.411 kJ/mol
Boiling Point: 266.469 °C at 760 mmHg
Vapour Pressure: 0.014 mmHg at 25°C
SMILES: Ic1cccc(SC)c1
InChI: InChI=1/C7H7IS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Specification

  Benzene,1-iodo-3-(methylthio)- , with CAS number of 130416-73-8, can be called Methylm-iodophenyl sulfide ; m-Iodophenyl methyl sulfide .